CID 482643

7-chloro-3-methyl-2-phenylthioquinoxaline-1,4-dioxide

Structural Information

Molecular Formula
C15H11ClN2O2S
SMILES
CC1=C([N+](=O)C2=C(N1[O-])C=CC(=C2)Cl)SC3=CC=CC=C3
InChI
InChI=1S/C15H11ClN2O2S/c1-10-15(21-12-5-3-2-4-6-12)18(20)14-9-11(16)7-8-13(14)17(10)19/h2-9H,1H3
InChIKey
TVRZBOGSJKQSNN-UHFFFAOYSA-N
Compound name
7-chloro-3-methyl-4-oxido-2-phenylsulfanylquinoxalin-1-ium 1-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

318.02298 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.03026 167.5
[M+Na]+ 341.01220 178.6
[M-H]- 317.01570 171.9
[M+NH4]+ 336.05680 180.9
[M+K]+ 356.98614 166.8
[M+H-H2O]+ 301.02024 164.4
[M+HCOO]- 363.02118 178.3
[M+CH3COO]- 377.03683 194.9
[M+Na-2H]- 338.99765 172.8
[M]+ 318.02243 170.4
[M]- 318.02353 170.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.